0 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 12778 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 14775 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.286 COC1=C(O)C=CC(CCN)=C1 34925 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.189 CCOC1=CC=CC(C=O)=C1 13132 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.189 CCOC1=CC=CC(NN)=C1 16014 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.189 CNCC1=CC(OC)=CC=C1 31256 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.189 COC1=CC=CC(CC#N)=C1 18497 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.189 COC1=CC=CC(CCN)=C1 12794 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 25477 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.192 CCOC1=CC(C)=C(C)C=C1 3238 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 25405 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.192 CCOC1=CC(Cl)=C(Cl)C=C1 3242 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.192 CCOC1=CC(Cl)=C(F)C=C1 3159 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 3164 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.192 CCOC1=CC(F)=C(F)C=C1 2327 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.192 CCOC1=CC(N)=C(N)C=C1 2153 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.192 CCOC1=CC=C(N)C(N)=C1 2484 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.192 COCC1=CC(F)=C(Br)C=C1 27438 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.192 COCC1=CC(N)=C(Br)C=C1 31047 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.192 Cc1cc(CC#N)ccc1Br 31491 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.192 Cc1cc(CC#N)ccc1F 31505 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.192 FC1=C(Cl)C=C(CCBr)C=C1 31594 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 31603 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.192 NCCC1=CC(F)=C(F)C=C1 31257 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.192 NCCC1=CC(O)=C(O)C=C1 22727 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.192 OCCC1=CC(F)=C(F)C=C1 31602 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.192 OCCC1=CC=C(O)C(O)=C1 14271 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.280 CCC1=C(Cl)C=CC(OC)=C1 5282 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 28101 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.280 CCC1=CC(OC)=C(Cl)C=C1 5280 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 28722 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 30968 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.280 COC1=C(Br)C=CC(CO)=C1 31324 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.280 COC1=C(C)C=CC(C#N)=C1 28758 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.280 COC1=C(C)C=CC(C=O)=C1 2646 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 18681 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 30916 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.280 COC1=C(F)C=CC(C#N)=C1 3501 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.280 COC1=C(F)C=CC(C=O)=C1 1449 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.280 COC1=C(F)C=CC(CBr)=C1 27471 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.280 COC1=C(F)C=CC(CN)=C1 27537 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.280 COC1=C(F)C=CC(CO)=C1 7734 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.280 COC1=C(O)C=CC(C#N)=C1 13112 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.280 COC1=C(O)C=CC(C=O)=C1 25440 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.280 COC1=C(O)C=CC(CN)=C1 7385 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.280 COC1=CC(C#N)=C(O)C=C1 30775 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.280 COC1=CC(C=O)=C(O)C=C1 2649 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.280 COC1=CC(OC)=C(Br)C=C1 3036 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.280 COC1=CC(OC)=C(Cl)C=C1 3041 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.280 COC1=CC(OC)=C(F)C=C1 28466 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.280 COC1=CC(OC)=C(I)C=C1 3053 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.280 COC1=CC(OC)=C(N)C=C1 16639 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.280 COC1=CC(OC)=C(S)C=C1 6882 [1,0,0,0,0,0|1,1,0]=3 53 B13R1.49 CCC(=O)c1ccc(O)c(OC)c1 28262 [0,1,0,0,0,0|0,0,1]=2 54 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=C1 16300 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.49 COC(=O)C1=CC(OC)=C(C)C=C1 13650 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.49 COC(=O)C1=CC(OC)=C(N)C=C1 30517 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 35231 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 31547 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 25281 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 31437 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 14403 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.386 CCOC1=CC(OC)=C(OC)C=C1 3044 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 20538 [0,1,0,0,0,0|1,0,1]=3 64 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 22139 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 28132 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.386 COC1=C(OC)C=C(N=C=O)C=C1 35593 [0,1,0,0,0,0|2,0,1]=4 67 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 6953 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 19152 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 24845 [0,0,0,1,0,0|1,0,1]=3 70 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 31788 [0,0,0,1,0,0|1,0,0]=2 71 B13R2.599 COC1=C(O)C=C2C=NNC2=C1 18030 [0,0,0,1,0,0|2,0,1]=4 72 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [2,0,0,0,0,0|1,1,0]=4 81 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.10 COCC1=CC=CC(F)=C1 24279 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.172 CCC1=CC=CC(C#N)=C1 5432 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.172 CCC1=CC=CC(C=O)=C1 3073 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.172 CNC1=CC=CC(NC)=C1 21395 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.172 CNC1=CC=CC(OC)=N1 15374 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.172 COC1=CC(CN)=NC=C1 27624 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.172 COC1=CC(CN)=NC=C1 34573 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.172 COC1=CC(CO)=NC=C1 9295 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [2,0,0,0,0,0|1,0,0]=3 104 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.172 COC1=CC=CC(CN)=C1 7401 [2,0,0,0,0,0|1,0,0]=3 106 B10R1.172 COC1=CC=CC(CO)=C1 3095 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.172 COC1=CC=CC(CO)=N1 16585 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.172 COC1=CC=CC(OC)=N1 29237 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.172 COC1=CC=CC(SC)=C1 10653 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.172 COC1=CN=CC(OC)=C1 18112 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.172 COC1=NC=CC(CCl)=C1 24332 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.172 CSC1=CC=CC(CCl)=C1 32305 [2,0,0,0,0,0|1,1,0]=4 113 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [2,0,0,0,0,0|1,0,0]=3 138 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [2,0,0,0,0,0|1,0,0]=3 142 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [2,0,0,0,0,0|0,0,2]=4 143 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 24290 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.176 CC1=C(F)C=CC(CN)=C1 4495 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [2,0,0,0,0,0|1,0,1]=4 149 B10R1.176 CCC1=CC(Br)=C(N)C=C1 5314 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 3644 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.176 CCC1=CC=C(N)C(N)=C1 31890 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [2,0,0,0,0,0|0,0,0]=2 154 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [2,0,0,0,0,0|1,1,0]=4 162 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.176 N#CC1=CC(O)=C(O)C=C1 3120 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [2,0,0,0,0,0|1,0,1]=4 172 B10R1.176 OCC1=CC(O)=C(F)C=C1 35161 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.176 OCC1=CC(O)=C(I)C=C1 28804 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.30 CC1=CC(C#N)=C(O)C=C1 27632 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.30 CC1=CC=C(O)C(C=O)=C1 15680 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.30 CCC1=NC(C)=CC=C1O 35102 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.30 CNC1=C(O)C=CC(N)=C1 20872 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [2,0,0,0,0,0|1,0,0]=3 193 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [2,0,0,0,0,0|1,0,0]=3 200 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [2,0,0,0,0,0|1,0,0]=3 214 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [2,0,0,0,0,0|1,0,0]=3 216 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.30 COC1=NC(C)=CC=C1Br 8122 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.30 COC1=NC(C)=CC=C1F 6585 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.30 COC1=NC(C)=CC=C1N 1266 [2,0,0,0,0,0|2,0,0]=4 222 B12R1.41 COC1=CC(CC#N)=CC(F)=C1 25413 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.270 COC1=CC(CC#N)=C(F)C=C1 24725 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.278 CCNC1=CC=CC(NCC)=C1 21411 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.280 COC1=CC=CC(CC#N)=C1O 12596 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.435 COc1cccc(C(=O)CN)c1 20065 [1,1,0,0,0,0|1,0,1]=4 227 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 19669 [1,1,0,0,0,0|1,0,1]=4 228 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 28267 [1,1,0,0,0,0|0,0,1]=3 229 B12R1.438 COC1=CC=CC(CC(O)=S)=C1 21122 [1,1,0,0,0,0|1,0,1]=4 230 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 3321 [1,1,0,0,0,0|1,0,1]=4 231 B12R1.438 COC1=CC=CC(OC(C)=O)=C1 3063 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.19 CC1=C(Br)C=CC(CC(C)C)=C1 35294 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 31480 [1,1,0,0,0,0|1,0,1]=4 234 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 24320 [1,1,0,0,0,0|1,0,1]=4 235 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 26112 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 31493 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 30528 [1,1,0,0,0,0|1,0,1]=4 239 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 6074 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 36477 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 3386 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 22014 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 2152 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.385 CCCSC1=CC=C(N)C(N)=C1 44716 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 31231 [1,1,0,0,0,0|1,0,1]=4 246 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 4234 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 33662 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 3315 [1,1,0,0,0,0|0,0,1]=3 250 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 16519 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 19824 [1,1,0,0,0,0|0,0,2]=4 252 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3047 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 3046 [1,1,0,0,0,0|0,0,0]=2 254 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 8124 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 8238 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 13181 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.78 COC1=C(OC)C=C(CN)C=C1 7394 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.78 COC1=C(OC)C=C(CO)C=C1 7452 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 13105 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 8220 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.78 COC1=CC(OC)=C(CCl)C=C1 27178 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7397 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7398 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.78 COC1=CC(OC)=C(CO)C=C1 7454 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 8197 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.300 COC1=CC(C=O)=CC(F)=C1O 10464 [1,1,0,0,0,0|1,0,1]=4 267 B12R1.300 COC1=CC(C=O)=CC(O)=C1O 8233 [1,1,0,0,0,0|1,0,1]=4 268 B12R1.300 COC1=CC(F)=C(Br)C(OC)=C1 3038 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.300 COC1=CC(N)=C(F)C(OC)=C1 28318 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.449 CCC1=CC(OC)=C(O)C=C1F 26368 [1,1,0,0,0,0|0,0,0]=2 271 B12R1.453 CCC1=CC(B(O)O)=C(O)C=C1 33196 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.453 CCC1=CC([N+](=O)[O-])=C(O)C=C1 27788 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 13248 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 26583 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.654 CCC1=CC=C(Cl)C(CC)=C1N 3201 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.654 COC1=C(F)C(OC)=C(N)C=C1 10109 [1,1,0,0,0,0|2,0,0]=4 277 B14R1.358 COC(=O)C1=CC(O)=C(O)C(OC)=C1 22944 [0,2,0,0,0,0|1,0,1]=4 278 B14R1.626 CCOC(=O)C1=CC(OC)=C(F)C=C1 18890 [0,2,0,0,0,0|1,0,1]=4 279 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 13009 [0,2,0,0,0,0|1,0,1]=4 280 B14R1.439 CCOC1=C(O)C=CC(CC(=O)O)=C1 12537 [0,2,0,0,0,0|1,0,1]=4 281 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 12394 [0,2,0,0,0,0|1,0,1]=4 282 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 15020 [0,2,0,0,0,0|0,0,1]=3 283 B14R1.3651 COC1=C(OC)C=C(CC(C)N)C=C1 16299 [0,2,0,0,0,0|0,0,0]=2 284 B14R1.3651 COC1=C(OC)C=C(C[C@@H](C)O)C=C1 15584 [0,2,0,0,0,0|0,0,0]=2 285 B14R1.3651 COC1=C(OC)C=C(C[C@H](C)O)C=C1 23471 [0,2,0,0,0,0|0,0,0]=2 286 B14R1.6794 COC1=C(C(C)=O)C=C(CCO)C=C1 34849 [0,2,0,0,0,0|2,0,0]=4 287 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 36106 [0,2,0,0,0,0|0,0,1]=3 288 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 19446 [0,2,0,0,0,0|1,0,0]=3 289 B14R1.3236 C=CCC1=CC(C=O)=C(O)C(OC)=C1 36152 [0,2,0,0,0,0|0,0,2]=4 290 B12R2.43 O=Cc1cccc(C2CC2)c1 24585 [1,0,0,1,0,0|2,0,0]=4 291 B12R2.44 COC1=CC=C2CCNC2=C1 20088 [1,0,0,1,0,0|1,0,0]=3 292 B12R2.44 COC1=CC=C2CCNC2=C1 8317 [1,0,0,1,0,0|1,0,0]=3 293 B12R2.44 COC1=CC=C2CNCC2=C1 17685 [1,0,0,1,0,0|1,0,0]=3 294 B12R2.44 COC1=CC=C2CNCC2=N1 23499 [1,0,0,1,0,0|2,0,0]=4 295 B12R2.44 COC1=CC=C2NCCC2=C1 8318 [1,0,0,1,0,0|1,0,0]=3 296 B12R2.44 O=CC1=CC=C2CCCC2=C1 21537 [1,0,0,1,0,0|2,0,0]=4 297 B12R2.315 COC1=C2CNCC2=CC=C1 17686 [1,0,0,1,0,0|1,0,0]=3 298 B12R2.100 OC1=C(O)C=C2NCCC2=C1 17376 [1,0,0,1,0,0|1,0,0]=3 299 B14R2.966 N#C[C@H](O)C1=CC2=C(C=C1)OCO2 17474 [0,1,0,1,0,0|1,0,1]=4 300 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 22975 [0,1,0,1,0,0|1,0,1]=4 301 B14R2.966 O[C@H](CCl)C1=CC2=C(C=C1)OCO2 15580 [0,1,0,1,0,0|1,0,0]=3 302 B14R2.2167 COC1=C(Cl)C=C2CCC(=O)C2=C1 26077 [0,1,0,1,0,0|1,0,1]=4 303 B14R2.1008 C[C@@H](O)CC1=CC2=C(C=C1)OCO2 15588 [0,1,0,1,0,0|0,0,0]=2 304 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 44846 [0,1,0,1,0,0|1,0,1]=4 305 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 24196 [0,1,0,1,0,0|1,0,1]=4 306 B14R2.82 COC1=C(C=O)C=C2CCCC2=C1 13371 [0,1,0,1,0,0|0,0,1]=3 307 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 35412 [0,1,0,1,0,0|1,0,0]=3 308 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 9883 [0,1,0,1,0,0|1,0,1]=4 309 B14R2.1128 COC1=C(O)C=C2C=NCCC2=C1 12735 [0,1,0,1,0,0|0,0,1]=3 310 B14R2.1416 COC1=C(Cl)C=C2C(=O)CCC2=C1 17721 [0,1,0,1,0,0|1,0,1]=4